1-[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenylethanone

C23H20N4O — CID 46269706

IUPAC1-[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenylethanone
SMILESCc1ccc(-c2nc(N)n(C(=O)C(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C23H20N4O/c1-16-12-14-19(15-13-16)21-25-23(24)27(26-21)22(28)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,20H,1H3,(H2,24,25,26)
InChIKeyMAUXDZUCZJZKJP-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.31
Rot. Bonds4

About 1-[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenylethanone

1-[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenylethanone (PubChem CID 46269706) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenylethanone
PubChem CID46269706
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name1-[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenylethanone
SMILESCc1ccc(-c2nc(N)n(C(=O)C(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C23H20N4O/c1-16-12-14-19(15-13-16)21-25-23(24)27(26-21)22(28)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,20H,1H3,(H2,24,25,26)
InChIKeyMAUXDZUCZJZKJP-UHFFFAOYSA-N
XLogP4.31
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenylethanone (CID 46269706) is 1-[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenylethanone is Cc1ccc(-c2nc(N)n(C(=O)C(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 1-[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenylethanone?
The InChIKey is MAUXDZUCZJZKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-16-12-14-19(15-13-16)21-25-23(24)27(26-21)22(28)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,20H,1H3,(H2,24,25,26).
What are the key properties of 1-[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenylethanone?
1-[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenylethanone has a molecular weight of 368.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 46269706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).